ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate

C10H12N2O3 — CID 89184511

IUPACethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate
SMILESC=Cc1ccc(=O)n(CC(=O)OCC)n1
InChIInChI=1S/C10H12N2O3/c1-3-8-5-6-9(13)12(11-8)7-10(14)15-4-2/h3,5-6H,1,4,7H2,2H3
InChIKeyCCLULYKHDANJPM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.45
Rot. Bonds4

About ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate

ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate (PubChem CID 89184511) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate
PubChem CID89184511
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Nameethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate
SMILESC=Cc1ccc(=O)n(CC(=O)OCC)n1
InChIInChI=1S/C10H12N2O3/c1-3-8-5-6-9(13)12(11-8)7-10(14)15-4-2/h3,5-6H,1,4,7H2,2H3
InChIKeyCCLULYKHDANJPM-UHFFFAOYSA-N
XLogP0.45
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-Methyl-6-oxopyridazin-1(6H)-yl)acetic acid
CID 3159587
2-(3-Methyl-6-oxo-1,6-dihydropyridazin-1-yl)propanoic acid
CID 24252592
Ethyl (6-oxopyridazin-1(6H)-yl)acetate
CID 45496282
Pyridazineacetic acid, 1-, (6H), 3-chloro-6-oxo-, ethyl ester
CID 144466
N,N-diethyl-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 45797767
Ethyl 2-[methyl-(1-methyl-6-oxopyridazine-3-carbonyl)amino]acetate
CID 55008099
1-(2-Methoxyethyl)-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CID 8899701
Ethyl 2-[(1-butyl-6-oxopyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 56181382
Ethyl 2-fluoro-2-(3-methyl-6-oxopyridazin-1-yl)acetate
CID 81297609
6-Methyl-2-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridazin-3-one
CID 86818472
Ethyl 2-[(6-oxo-1-propylpyridazine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]acetate
CID 86864658
ethyl 2-(6-oxo-3-(trifluoromethyl)pyridazin-1(6H)-yl)acetate
CID 92130861

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate (CID 89184511) is ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate is C=Cc1ccc(=O)n(CC(=O)OCC)n1.
What is the InChIKey of ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate?
The InChIKey is CCLULYKHDANJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-8-5-6-9(13)12(11-8)7-10(14)15-4-2/h3,5-6H,1,4,7H2,2H3.
What are the key properties of ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate?
ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate has a molecular weight of 208.22 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethenyl-6-oxopyridazin-1-yl)acetate is sourced from PubChem (CID 89184511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).